2-(2,4-dimethylphenoxy)-1-[3-(2-methoxycyclopentyl)morpholin-4-yl]ethanone

C20H29NO4 — CID 167905349

IUPAC2-(2,4-dimethylphenoxy)-1-[3-(2-methoxycyclopentyl)morpholin-4-yl]ethanone
SMILESCOC1CCCC1C1COCCN1C(=O)COc1ccc(C)cc1C
InChIInChI=1S/C20H29NO4/c1-14-7-8-18(15(2)11-14)25-13-20(22)21-9-10-24-12-17(21)16-5-4-6-19(16)23-3/h7-8,11,16-17,19H,4-6,9-10,12-13H2,1-3H3
InChIKeyOGXOMLKPZLRMCK-UHFFFAOYSA-N
MW347.45 g/mol
LogP2.72
Rot. Bonds5

About 2-(2,4-dimethylphenoxy)-1-[3-(2-methoxycyclopentyl)morpholin-4-yl]ethanone

2-(2,4-dimethylphenoxy)-1-[3-(2-methoxycyclopentyl)morpholin-4-yl]ethanone (PubChem CID 167905349) has the molecular formula C20H29NO4 and a molecular weight of 347.45 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-1-[3-(2-methoxycyclopentyl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-1-[3-(2-methoxycyclopentyl)morpholin-4-yl]ethanone
PubChem CID167905349
Molecular FormulaC20H29NO4
Molecular Weight347.45 g/mol
Exact Mass347.21
IUPAC Name2-(2,4-dimethylphenoxy)-1-[3-(2-methoxycyclopentyl)morpholin-4-yl]ethanone
SMILESCOC1CCCC1C1COCCN1C(=O)COc1ccc(C)cc1C
InChIInChI=1S/C20H29NO4/c1-14-7-8-18(15(2)11-14)25-13-20(22)21-9-10-24-12-17(21)16-5-4-6-19(16)23-3/h7-8,11,16-17,19H,4-6,9-10,12-13H2,1-3H3
InChIKeyOGXOMLKPZLRMCK-UHFFFAOYSA-N
XLogP2.72
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.45
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[3-(2-methoxycyclopentyl)morpholin-4-yl]-2-oxoethoxy]benzonitrile
CID 128987997
(3S)-4-[2-(2-methoxy-4-methylphenoxy)acetyl]morpholine-3-carboxylic acid
CID 125149365
3-hydroxy-1-[(3R)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]-3-methylbutan-1-one
CID 129351728
1-[(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]-2-(2-methylpyrazol-3-yl)ethanone
CID 129487190
2-(2,4-dimethylphenoxy)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 79030302
2-(2,4-dimethylphenoxy)-1-(2-ethylpiperidin-1-yl)ethanone
CID 112977889
2-(2,4-dimethylphenoxy)-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone
CID 43421409
3-(3,5-dimethylphenyl)-1-[3-(2-hydroxycyclopentyl)morpholin-4-yl]propan-1-one
CID 128987941
2-[2-[3-(2-hydroxycyclopentyl)morpholin-4-yl]-2-oxoethoxy]benzonitrile
CID 128987967
2-(2,4-dimethylphenoxy)-1-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116636107
2-(2,4-dimethylphenoxy)-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 60956652
2-(2,4-dimethylphenoxy)-1-(2-pyridin-4-ylpyrrolidin-1-yl)ethanone
CID 86920438

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-1-[3-(2-methoxycyclopentyl)morpholin-4-yl]ethanone?
The IUPAC name of 2-(2,4-dimethylphenoxy)-1-[3-(2-methoxycyclopentyl)morpholin-4-yl]ethanone (CID 167905349) is 2-(2,4-dimethylphenoxy)-1-[3-(2-methoxycyclopentyl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-1-[3-(2-methoxycyclopentyl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-1-[3-(2-methoxycyclopentyl)morpholin-4-yl]ethanone is COC1CCCC1C1COCCN1C(=O)COc1ccc(C)cc1C.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-1-[3-(2-methoxycyclopentyl)morpholin-4-yl]ethanone?
The InChIKey is OGXOMLKPZLRMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO4/c1-14-7-8-18(15(2)11-14)25-13-20(22)21-9-10-24-12-17(21)16-5-4-6-19(16)23-3/h7-8,11,16-17,19H,4-6,9-10,12-13H2,1-3H3.
What are the key properties of 2-(2,4-dimethylphenoxy)-1-[3-(2-methoxycyclopentyl)morpholin-4-yl]ethanone?
2-(2,4-dimethylphenoxy)-1-[3-(2-methoxycyclopentyl)morpholin-4-yl]ethanone has a molecular weight of 347.45 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-1-[3-(2-methoxycyclopentyl)morpholin-4-yl]ethanone is sourced from PubChem (CID 167905349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).